element(s):
['I']
AFLOW prototype label:
A_tI2_139_a
Parameter names:
['a', 'c/a']
model type (only 'standard' supported at this time):
standard
number of parameter sets:
1
Parameter values for parameter set 0:
['3.2326', '2.6559735']
model name:
LJ_ElliottAkerson_2015_Universal__MO_959249795837_003
==== Building ASE atoms object with: ====
representative atom symbols =  ['I']
representative atom coordinates =  [[0 0 0]]
spacegroup =  139
cell =  [[3.2326, 0, 0], [0, 3.2326, 0], [0, 0, 8.5857]]
=========================================
      Step     Time          Energy         fmax
BFGS:    0 17:08:57       -5.829645        6.1897
BFGS:    1 17:08:57       -6.526265        6.7392
BFGS:    2 17:08:57       -7.280847        7.2165
BFGS:    3 17:08:57       -8.080633        7.3828
BFGS:    4 17:08:57       -8.895104        7.0455
BFGS:    5 17:08:57       -9.677882        5.8184
BFGS:    6 17:08:57      -10.368519        5.1632
BFGS:    7 17:08:57      -10.756493        6.1217
BFGS:    8 17:08:57      -11.069953        7.1068
BFGS:    9 17:08:57      -11.384019        8.2283
BFGS:   10 17:08:57      -11.691180        9.5465
BFGS:   11 17:08:57      -11.950215       11.1341
BFGS:   12 17:08:57      -12.861220       12.2240
BFGS:   13 17:08:57      -13.560524       13.7164
BFGS:   14 17:08:57      -14.257742       15.1640
BFGS:   15 17:08:57      -15.095887       17.3620
BFGS:   16 17:08:57      -16.032955       19.6092
BFGS:   17 17:08:58      -17.088267       21.9242
BFGS:   18 17:08:58      -18.258445       24.2077
BFGS:   19 17:08:58      -19.537454       26.1762
BFGS:   20 17:08:58      -20.897527       27.3943
BFGS:   21 17:08:58      -22.286894       27.3445
BFGS:   22 17:08:58      -23.610266       24.8970
BFGS:   23 17:08:58      -24.718874       18.8636
BFGS:   24 17:08:58      -25.428694        8.5501
BFGS:   25 17:08:58      -25.612212        3.5698
BFGS:   26 17:08:58      -25.628828        0.9326
BFGS:   27 17:08:58      -25.630388        0.0414
BFGS:   28 17:08:58      -25.630391        0.0010
BFGS:   29 17:08:58      -25.630391        0.0001
BFGS:   30 17:08:58      -25.630391        0.0000
BFGS:   31 17:08:58      -25.630391        0.0000
BFGS:   32 17:08:58      -25.630391        0.0000
Minimization converged after 32 steps.
Maximum force component: 0.0 eV/Angstrom
Maximum stress component: 6.061529015111847e-11 eV/Angstrom^3
==== Minimized structure obtained from ASE ====
symbols =  ['I', 'I']
basis =  [[0.  0.  0. ]
 [0.5 0.5 0.5]]
cellpar =  Cell([[2.7034319560207534, -2.130232887745417e-34, -6.397084573276391e-33], [-5.2265294066329755e-34, 2.703431956020752, -2.580669204035437e-17], [4.10816309084827e-33, 8.060266844816822e-17, 3.8232301371547734]])
forces =  [[0. 0. 0.]
 [0. 0. 0.]]
stress =  [ 6.06152902e-11  6.06152902e-11  5.75567555e-11 -2.30553931e-67
 -1.19254445e-33 -1.44920596e-60]
energy per atom =  -12.81519564469397
===============================================
Parameter sets [0] relaxed to duplicate structures, attempting to write only one of them.
Prototype label changed during relaxation: test template prototype is A_tI2_139_a, while relaxed is A_cF4_225_a. Skipping parameter set 0.
No parameter sets in this group successfully added a property instance. Skipping this group.